Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate
TL;DR: Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate (CAS 676348-64-4) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,4-dimethoxyphenyl)-3-oxopropanoate
Also Known As: methyl 3-(2,4-dimethoxyphenyl)-3-oxopropanoate, 3-(2,4-Dimethoxy-phenyl)-3-oxo-propionic acid methyl ester, Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate, Methyl 2,4-dimethoxy-I(2)-oxobenzenepropanoate, methyl 3-(2,4-dimethoxyphenyl)-3-oxo-propanoate
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.4496 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 424.9042 |
Chemical Identifiers
| CAS Number | 676348-64-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)CC(=O)OC)OC |
Product Overview
Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate (CAS 676348-64-4), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: methyl 3-(2,4-dimethoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate
Property Insights of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate
The XLogP value of 1.4496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate. Following Lipinski's Rule of Five, Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate?
The CAS number of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate is 676348-64-4.
What is the molecular formula of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate?
The molecular formula of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate is C12H14O5.
What is the molecular weight of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate?
The molecular weight of Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate is 238.08 g/mol.
Where can I buy Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate?
You can request a quote for Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-dimethoxy-beta-oxobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.